Pyrrolidine, 2-ethyl-5-heptyl-, trans-
TL;DR: Pyrrolidine, 2-ethyl-5-heptyl-, trans- (CAS 95018-46-5) is a chemical compound with molecular formula C13H27N and molecular weight 197.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,5R)-2-ethyl-5-heptylpyrrolidine
Also Known As: Pyrrolidine, 2-ethyl-5-heptyl-, trans-, (2R,5R)-2-ethyl-5-heptylpyrrolidine, (2R,5R)-2-ethyl-5-heptyl-pyrrolidine
| Molecular Formula | C13H27N |
|---|---|
| Molecular Weight | 197.21 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 197.21436 |
| Heavy Atoms | 14 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 95018-46-5 |
|---|---|
| SMILES | CCCCCCC[C@@H]1CC[C@H](N1)CC |
| InChIKey | FDMPRHCJRYHIBI-CHWSQXEVSA-N |
Product Overview
Pyrrolidine, 2-ethyl-5-heptyl-, trans- (CAS 95018-46-5), with molecular formula C13H27N and molecular weight 197.21 g/mol. IUPAC: (2R,5R)-2-ethyl-5-heptylpyrrolidine.
Chemical Property Profile of Pyrrolidine, 2-ethyl-5-heptyl-, trans-
Property Insights of Pyrrolidine, 2-ethyl-5-heptyl-, trans-
The XLogP value of 4.7 indicates that Pyrrolidine, 2-ethyl-5-heptyl-, trans- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, Pyrrolidine, 2-ethyl-5-heptyl-, trans- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolidine, 2-ethyl-5-heptyl-, trans- has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pyrrolidine, 2-ethyl-5-heptyl-, trans-?
The CAS number of Pyrrolidine, 2-ethyl-5-heptyl-, trans- is 95018-46-5.
What is the molecular formula of Pyrrolidine, 2-ethyl-5-heptyl-, trans-?
The molecular formula of Pyrrolidine, 2-ethyl-5-heptyl-, trans- is C13H27N.
What is the molecular weight of Pyrrolidine, 2-ethyl-5-heptyl-, trans-?
The molecular weight of Pyrrolidine, 2-ethyl-5-heptyl-, trans- is 197.21 g/mol.
Where can I buy Pyrrolidine, 2-ethyl-5-heptyl-, trans-?
You can request a quote for Pyrrolidine, 2-ethyl-5-heptyl-, trans- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolidine, 2-ethyl-5-heptyl-, trans-?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolidine, 2-ethyl-5-heptyl-, trans- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.